#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd7 n SER 2 N 0.00 -0.90 0.06 1.62 2.88 -1.26 -4.93 113.62 111.09 1pd7 n SER 2 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1pd7 n SER 2 Cb 0.00 0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 1pd7 n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1pd7 n ASP 3 N -0.71 0.53 -3.72 -3.46 8.00 -1.26 -4.51 116.55 111.42 1pd7 n ASP 3 Ca 0.00 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 1pd7 n ASP 3 Cb 0.00 1.03 -0.00 0.00 -0.02 0.00 0.00 41.12 42.13 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pd7 n SER 4 N -2.52 5.46 -0.04 -2.24 7.64 -1.26 -4.64 113.62 116.02 1pd7 n SER 4 Ca -0.02 -2.98 -0.14 0.00 1.01 0.00 0.00 58.87 56.75 1pd7 n SER 4 Cb 0.56 -1.53 -0.12 0.00 -1.01 0.00 0.00 64.21 62.12 1pd7 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1pd7 h VAL 5 N 3.60 1.60 0.00 0.44 2.07 -1.94 -3.18 116.25 118.83 1pd7 h VAL 5 Ca 0.54 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1pd7 h VAL 5 Cb 0.55 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1pd7 h VAL 5 CO 1.71 0.47 0.00 -0.33 0.02 0.00 0.00 177.57 179.43 1pd7 h GLU 6 N -0.74 0.00 -0.39 1.57 5.08 -1.98 0.44 114.58 118.57 1pd7 h GLU 6 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1pd7 h GLU 6 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1pd7 h GLU 6 CO 0.00 0.00 0.20 0.35 -1.00 0.00 0.00 179.01 178.57 1pd7 h PHE 7 N 0.00 0.55 0.00 4.33 3.57 -1.93 -1.98 116.94 121.48 1pd7 h PHE 7 Ca 0.00 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 1pd7 h PHE 7 Cb 0.64 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1pd7 h PHE 7 CO 0.00 0.44 -0.62 -0.97 -2.23 0.00 0.00 178.31 174.93 1pd7 h ASN 8 N 0.50 0.00 1.41 0.41 -1.24 -1.21 -1.94 115.58 113.50 1pd7 h ASN 8 Ca 0.14 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 1pd7 h ASN 8 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1pd7 h ASN 8 CO -0.02 0.62 -0.35 0.78 -1.29 0.00 0.00 177.43 177.17 1pd7 h ASN 9 N 0.00 0.00 -0.21 1.15 2.35 -0.94 0.29 115.58 118.21 1pd7 h ASN 9 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1pd7 h ASN 9 Cb 1.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 1pd7 h ASN 9 CO 0.08 0.35 -0.03 0.00 -1.65 0.00 0.00 177.43 176.18 1pd7 h ALA 10 N 1.65 0.29 -0.48 -0.83 0.00 -0.95 -3.12 119.26 115.82 1pd7 h ALA 10 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1pd7 h ALA 10 Cb 1.14 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1pd7 h ALA 10 CO 0.04 0.05 0.17 0.82 0.00 0.00 0.00 179.25 180.33 1pd7 h ILE 11 N 0.14 0.83 0.00 0.00 1.08 -0.98 -2.01 117.51 116.57 1pd7 h ILE 11 Ca 0.06 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1pd7 h ILE 11 Cb 0.45 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1pd7 h ILE 11 CO 0.02 0.06 -0.08 -1.28 -0.69 0.00 0.00 178.15 176.18 1pd7 h SER 12 N 0.34 0.00 0.01 1.72 0.87 -1.02 0.29 113.55 115.76 1pd7 h SER 12 Ca 0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1pd7 h SER 12 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1pd7 h SER 12 CO -0.24 0.08 -0.01 0.22 -0.53 0.00 0.00 176.83 176.36 1pd7 h TYR 13 N 0.00 -0.01 -0.79 2.24 3.20 -1.31 -2.59 116.97 117.71 1pd7 h TYR 13 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1pd7 h TYR 13 Cb 0.24 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1pd7 h TYR 13 CO 0.00 0.56 0.50 0.28 -1.64 0.00 0.00 178.16 177.86 1pd7 h VAL 14 N -0.59 1.12 -0.47 1.81 2.07 -0.84 -0.65 116.25 118.69 1pd7 h VAL 14 Ca -0.00 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1pd7 h VAL 14 Cb 0.57 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1pd7 h VAL 14 CO 0.00 0.18 0.14 -1.13 0.02 0.00 0.00 177.57 176.78 1pd7 h ASN 15 N 0.98 0.64 -0.36 0.57 -1.24 -0.55 0.11 115.58 115.72 1pd7 h ASN 15 Ca 0.31 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1pd7 h ASN 15 Cb 0.01 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1pd7 h ASN 15 CO -0.11 0.62 0.16 0.50 -1.29 0.00 0.00 177.43 177.31 1pd7 h LYS 16 N 0.68 0.53 -0.49 6.67 1.63 -0.99 -1.72 116.57 122.89 1pd7 h LYS 16 Ca 0.16 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 59.93 1pd7 h LYS 16 Cb 0.22 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 1pd7 h LYS 16 CO -0.01 0.49 0.21 0.82 -3.45 0.00 0.00 179.45 177.51 1pd7 h ILE 17 N 0.45 0.88 -0.28 2.00 2.04 -0.79 -1.85 117.51 119.96 1pd7 h ILE 17 Ca 0.12 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1pd7 h ILE 17 Cb 0.15 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1pd7 h ILE 17 CO -0.01 0.07 0.02 0.11 0.00 0.00 0.00 178.15 178.34 1pd7 h LYS 18 N 0.40 0.11 -0.83 2.37 1.57 -0.63 -1.36 116.57 118.20 1pd7 h LYS 18 Ca 0.23 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1pd7 h LYS 18 Cb 0.20 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1pd7 h LYS 18 CO -0.20 0.07 0.55 1.15 -0.57 0.00 0.00 179.45 180.44 1pd7 h THR 19 N 0.11 1.18 0.00 -0.16 2.02 -0.88 -2.51 112.91 112.68 1pd7 h THR 19 Ca 0.14 -0.37 -0.21 0.00 0.77 0.00 0.00 66.41 66.73 1pd7 h THR 19 Cb 0.17 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1pd7 h THR 19 CO -0.21 0.20 -1.05 0.03 0.37 0.00 0.00 175.52 174.85 1pd7 h ARG 20 N 1.08 0.00 -0.97 6.66 2.47 -1.21 -3.33 114.38 119.09 1pd7 h ARG 20 Ca 0.31 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.38 1pd7 h ARG 20 Cb -0.07 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 27.95 1pd7 h ARG 20 CO -0.08 0.86 0.68 1.19 0.56 0.00 0.00 179.97 183.18 1pd7 n PHE 21 N -3.28 3.15 -0.04 3.04 3.72 -0.53 -4.48 117.46 119.03 1pd7 n PHE 21 Ca -0.02 -2.86 -0.14 0.00 -0.05 0.00 0.00 57.45 54.37 1pd7 n PHE 21 Cb 0.93 -1.30 -0.08 0.00 -0.94 0.00 0.00 39.48 38.09 1pd7 n PHE 21 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1pd7 h LEU 22 N 1.94 0.44 -1.97 4.37 3.38 -1.60 -2.97 115.31 118.91 1pd7 h LEU 22 Ca 0.58 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pd7 h LEU 22 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1pd7 h LEU 22 CO 1.47 0.93 0.00 0.47 0.09 0.00 0.00 178.44 181.40 1pd7 n ASP 23 N -4.44 2.92 -3.07 -0.43 9.92 -1.26 -4.30 116.55 115.89 1pd7 n ASP 23 Ca -0.07 -2.17 -0.21 0.00 -0.53 0.00 0.00 54.79 51.81 1pd7 n ASP 23 Cb 0.46 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1pd7 n HIS 24 N 0.72 1.73 1.53 1.24 8.25 -1.13 -4.96 115.22 122.60 1pd7 n HIS 24 Ca 0.16 -3.85 0.13 0.00 -0.26 0.00 0.00 57.72 53.90 1pd7 n HIS 24 Cb 0.52 -0.44 0.74 0.00 1.12 0.00 0.00 29.99 31.94 1pd7 n HIS 24 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1pd7 n PRO 25 N 0.06 0.72 0.12 -0.41 -0.02 -1.20 -2.38 135.00 131.89 1pd7 n PRO 25 Ca 0.27 0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1pd7 n PRO 25 Cb 0.56 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.82 1pd7 n PRO 25 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pd7 h GLU 26 N 0.00 0.18 -0.52 -0.52 5.08 -1.93 -2.94 114.58 113.93 1pd7 h GLU 26 Ca 0.00 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1pd7 h GLU 26 Cb 0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1pd7 h GLU 26 CO 0.00 0.52 0.01 0.82 -1.00 0.00 0.00 179.01 179.36 1pd7 h ILE 27 N 0.16 1.26 0.00 3.13 1.08 -1.83 -2.72 117.51 118.59 1pd7 h ILE 27 Ca 0.02 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1pd7 h ILE 27 Cb 0.72 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1pd7 h ILE 27 CO 0.05 0.38 0.00 0.22 -0.69 0.00 0.00 178.15 178.12 1pd7 h TYR 28 N 0.78 0.00 0.00 1.37 3.20 -1.69 0.15 116.97 120.79 1pd7 h TYR 28 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pd7 h TYR 28 Cb 0.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1pd7 h TYR 28 CO 0.04 0.00 -0.02 0.00 -1.64 0.00 0.00 178.16 176.54 1pd7 h ARG 29 N 0.00 0.00 0.00 1.82 2.47 -1.60 -3.41 114.38 113.66 1pd7 h ARG 29 Ca 0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1pd7 h ARG 29 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1pd7 h ARG 29 CO 0.00 0.00 -0.54 1.03 0.56 0.00 0.00 179.97 181.02 1pd7 h SER 30 N -0.93 0.00 -0.29 7.04 0.87 -1.02 -2.63 113.55 116.59 1pd7 h SER 30 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1pd7 h SER 30 Cb 0.02 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1pd7 h SER 30 CO 0.00 0.54 -0.22 0.15 -0.53 0.00 0.00 176.83 176.76 1pd7 h PHE 31 N 0.00 -0.59 0.01 2.24 3.57 -1.00 -2.83 116.94 118.34 1pd7 h PHE 31 Ca -0.01 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.32 1pd7 h PHE 31 Cb 1.11 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1pd7 h PHE 31 CO 0.00 -0.30 -0.93 -0.07 -2.23 0.00 0.00 178.31 174.77 1pd7 h LEU 32 N -0.20 0.42 -1.03 0.59 3.38 -1.70 -2.97 115.31 113.79 1pd7 h LEU 32 Ca 0.15 -0.35 0.24 0.00 0.09 0.00 0.00 57.88 58.02 1pd7 h LEU 32 Cb 0.44 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 1pd7 h LEU 32 CO -0.41 1.15 0.60 -0.33 0.09 0.00 0.00 178.44 179.54 1pd7 h GLU 33 N 0.18 0.58 -0.13 1.13 5.08 -1.41 0.42 114.58 120.43 1pd7 h GLU 33 Ca -0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1pd7 h GLU 33 Cb 1.57 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1pd7 h GLU 33 CO 0.15 0.38 0.03 0.82 -1.00 0.00 0.00 179.01 179.40 1pd7 h ILE 34 N 0.59 1.20 0.00 3.13 2.04 -1.35 -2.09 117.51 121.04 1pd7 h ILE 34 Ca 0.63 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1pd7 h ILE 34 Cb 1.20 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1pd7 h ILE 34 CO -0.45 0.18 -0.34 -0.07 0.00 0.00 0.00 178.15 177.47 1pd7 h LEU 35 N 0.01 0.00 -1.82 1.44 3.38 -1.23 -1.47 115.31 115.63 1pd7 h LEU 35 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1pd7 h LEU 35 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pd7 h LEU 35 CO 0.00 0.34 -0.04 0.45 0.09 0.00 0.00 178.44 179.28 1pd7 h HIS 36 N 0.00 0.00 -0.16 1.13 3.86 -0.11 0.94 115.15 120.81 1pd7 h HIS 36 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1pd7 h HIS 36 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1pd7 h HIS 36 CO 0.00 0.04 -0.06 0.00 0.86 0.00 0.00 177.93 178.78 1pd7 h THR 37 N 0.00 1.14 0.00 2.45 1.03 -0.54 -2.40 112.91 114.59 1pd7 h THR 37 Ca -0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 1pd7 h THR 37 Cb 0.40 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1pd7 h THR 37 CO 0.01 0.19 -0.01 0.22 -0.01 0.00 0.00 175.52 175.91 1pd7 h TYR 38 N 0.23 0.00 -0.04 0.00 3.20 -1.46 -3.42 116.97 115.49 1pd7 h TYR 38 Ca 0.05 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1pd7 h TYR 38 Cb 0.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1pd7 h TYR 38 CO 0.00 0.00 0.08 0.37 -1.64 0.00 0.00 178.16 176.97 1pd7 h GLN 39 N -0.76 0.00 -0.80 1.82 -0.00 -0.75 0.33 115.11 114.95 1pd7 h GLN 39 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.88 1pd7 h GLN 39 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.46 1pd7 h GLN 39 CO 0.00 0.00 0.81 -0.22 0.00 0.00 0.00 178.83 179.42 1pd7 h LYS 40 N 0.00 0.00 -0.51 1.69 3.64 -1.67 -1.59 116.57 118.12 1pd7 h LYS 40 Ca 0.02 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1pd7 h LYS 40 Cb 0.17 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 1pd7 h LYS 40 CO -0.00 0.00 0.09 0.93 -2.27 0.00 0.00 179.45 178.20 1pd7 h GLU 41 N 0.00 0.21 0.00 1.90 4.39 -1.21 -3.47 114.58 116.41 1pd7 h GLU 41 Ca 0.38 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1pd7 h GLU 41 Cb 2.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1pd7 h GLU 41 CO -0.00 0.14 0.00 0.94 -1.16 0.00 0.00 179.01 178.92 1pd7 n GLN 42 N -5.14 -0.56 -2.75 2.33 -0.06 -0.60 -4.40 117.38 106.20 1pd7 n GLN 42 Ca 0.06 0.14 -0.01 0.00 -2.00 0.00 0.00 57.00 55.19 1pd7 n GLN 42 Cb 0.26 -4.07 0.00 0.00 -4.06 0.00 0.00 30.24 22.37 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1pd7 n LEU 43 N 0.00 -7.88 -2.39 1.69 4.77 -1.26 -4.91 117.00 107.02 1pd7 n LEU 43 Ca 0.00 1.33 -0.24 0.00 -0.03 0.00 0.00 56.01 57.07 1pd7 n LEU 43 Cb 0.14 -3.30 -0.08 0.00 -2.33 0.00 0.00 43.42 37.85 1pd7 n LEU 43 CO 0.00 -3.10 1.58 0.00 -1.33 0.00 0.00 177.39 174.55 1pd7 n HIS 44 N 0.64 1.30 -3.52 -1.77 1.44 -1.26 -4.84 115.22 107.20 1pd7 n HIS 44 Ca 0.01 -1.86 -0.01 0.00 -2.01 0.00 0.00 57.72 53.85 1pd7 n HIS 44 Cb 0.06 -1.41 -0.00 0.00 0.12 0.00 0.00 29.99 28.76 1pd7 n HIS 44 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1pd7 n THR 45 N 1.17 0.00 0.08 0.61 5.66 -1.26 -5.08 114.28 115.46 1pd7 n THR 45 Ca 0.47 -0.12 -0.08 0.00 -3.05 0.00 0.00 64.05 61.27 1pd7 n THR 45 Cb 0.62 -0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 68.88 1pd7 n THR 45 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1pd7 h LYS 46 N 0.00 -0.29 0.00 1.09 3.11 -2.02 -3.47 116.57 114.99 1pd7 h LYS 46 Ca -0.02 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1pd7 h LYS 46 Cb 0.07 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1pd7 h LYS 46 CO 0.03 -0.01 0.00 0.41 -2.81 0.00 0.00 179.45 177.07 1pd7 n GLY 47 N 0.79 0.00 3.97 5.01 0.00 -1.26 -5.16 105.19 108.54 1pd7 n GLY 47 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1pd7 n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pd7 s ARG 48 N 0.00 3.15 0.59 1.61 1.70 -1.26 -5.09 118.95 119.65 1pd7 s ARG 48 Ca 0.00 -0.98 -0.18 0.00 -0.47 0.00 0.00 55.73 54.09 1pd7 s ARG 48 Cb 0.00 -2.79 -0.03 0.00 -0.57 0.00 0.00 34.95 31.55 1pd7 s ARG 48 CO 0.00 0.16 1.18 -2.14 -1.08 0.00 0.00 175.30 173.42 1pd7 s PRO 49 N -4.10 3.00 0.00 3.89 0.02 -1.26 -4.98 135.00 131.57 1pd7 s PRO 49 Ca 0.42 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1pd7 s PRO 49 Cb -0.09 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1pd7 s PRO 49 CO 0.30 -1.16 0.00 0.34 -0.33 0.00 0.00 177.00 176.15 1pd7 n PHE 50 N -1.66 0.00 0.00 6.54 7.35 -1.26 -5.16 117.46 123.27 1pd7 n PHE 50 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1pd7 n PHE 50 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1pd7 n PHE 50 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1pd7 n ARG 51 N 0.00 0.79 0.00 -4.13 1.85 -1.26 -5.11 116.66 108.80 1pd7 n ARG 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pd7 n ARG 51 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pd7 n GLY 52 N 5.00 -1.79 7.00 2.89 0.00 -1.26 -5.04 105.19 111.99 1pd7 n GLY 52 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1pd7 n GLY 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pd7 n MET 53 N 0.00 0.00 -2.59 1.61 -0.00 -1.26 -3.35 117.12 111.53 1pd7 n MET 53 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.27 1pd7 n MET 53 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 33.22 33.20 1pd7 n MET 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1pd7 s SER 54 N -4.00 6.62 0.39 3.17 0.01 -1.26 -4.92 113.70 113.72 1pd7 s SER 54 Ca 0.00 0.49 0.12 0.00 1.31 0.00 0.00 55.95 57.87 1pd7 s SER 54 Cb 0.00 -2.55 0.79 0.00 0.21 0.00 0.00 66.02 64.47 1pd7 s SER 54 CO 0.00 -1.26 1.89 -0.33 0.41 0.00 0.00 173.24 173.95 1pd7 h GLU 55 N 9.28 0.09 0.00 12.44 5.08 -1.96 0.10 114.58 139.61 1pd7 h GLU 55 Ca -0.23 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1pd7 h GLU 55 Cb 1.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1pd7 h GLU 55 CO 1.13 0.34 -0.00 0.93 -1.00 0.00 0.00 179.01 180.40 1pd7 h GLU 56 N 0.08 0.00 0.17 2.33 3.07 -1.91 -3.11 114.58 115.21 1pd7 h GLU 56 Ca 0.01 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.54 1pd7 h GLU 56 Cb 0.50 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1pd7 h GLU 56 CO 0.04 0.00 -1.60 1.05 -1.40 0.00 0.00 179.01 177.10 1pd7 h GLU 57 N 0.00 0.36 -0.78 2.33 4.11 -1.15 -0.17 114.58 119.27 1pd7 h GLU 57 Ca -0.00 -0.62 -0.04 0.00 0.07 0.00 0.00 59.36 58.77 1pd7 h GLU 57 Cb 0.03 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1pd7 h GLU 57 CO 0.00 1.26 0.32 -0.24 0.07 0.00 0.00 179.01 180.42 1pd7 h VAL 58 N 0.10 1.26 0.44 -1.06 3.04 -1.53 0.47 116.25 118.97 1pd7 h VAL 58 Ca -0.28 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.58 1pd7 h VAL 58 Cb 2.08 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.67 1pd7 h VAL 58 CO 0.19 0.33 -0.37 0.15 -1.01 0.00 0.00 177.57 176.87 1pd7 h PHE 59 N 1.14 -0.98 -0.85 3.17 3.04 -1.61 -2.44 116.94 118.41 1pd7 h PHE 59 Ca 0.26 0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.39 1pd7 h PHE 59 Cb 0.21 0.37 -0.11 0.00 2.56 0.00 0.00 35.95 38.99 1pd7 h PHE 59 CO 0.02 -0.53 0.38 0.00 -2.02 0.00 0.00 178.31 176.16 1pd7 h THR 60 N -0.81 0.59 0.00 4.41 1.03 -0.10 -0.22 112.91 117.82 1pd7 h THR 60 Ca -0.04 -0.16 -0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1pd7 h THR 60 Cb 0.70 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 1pd7 h THR 60 CO -0.02 0.09 -0.00 -0.33 -0.01 0.00 0.00 175.52 175.25 1pd7 h GLU 61 N 0.47 -0.00 -0.92 0.00 4.39 -0.99 -3.14 114.58 114.39 1pd7 h GLU 61 Ca 0.49 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.39 1pd7 h GLU 61 Cb 0.83 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.41 1pd7 h GLU 61 CO -0.45 0.65 0.60 0.28 -1.16 0.00 0.00 179.01 178.92 1pd7 h VAL 62 N -0.65 0.71 -0.38 3.13 2.07 -0.97 -0.28 116.25 119.87 1pd7 h VAL 62 Ca -0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1pd7 h VAL 62 Cb 0.65 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1pd7 h VAL 62 CO 0.00 0.09 0.11 0.00 0.02 0.00 0.00 177.57 177.79 1pd7 h ALA 63 N 1.61 1.47 0.00 1.67 0.00 -1.06 -2.21 119.26 120.76 1pd7 h ALA 63 Ca 0.49 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1pd7 h ALA 63 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1pd7 h ALA 63 CO -0.22 0.39 -0.48 -2.95 0.00 0.00 0.00 179.25 176.00 1pd7 h ASN 64 N 0.55 0.00 -0.14 0.00 7.08 -1.00 -0.16 115.58 121.91 1pd7 h ASN 64 Ca 0.13 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.16 1pd7 h ASN 64 Cb 0.19 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.44 1pd7 h ASN 64 CO -0.01 0.48 -0.66 -0.07 -2.08 0.00 0.00 177.43 175.09 1pd7 h LEU 65 N 0.00 0.82 0.00 6.14 4.07 -1.44 -3.36 115.31 121.53 1pd7 h LEU 65 Ca -0.00 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1pd7 h LEU 65 Cb 0.89 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1pd7 h LEU 65 CO 0.06 1.32 -1.01 0.49 -1.08 0.00 0.00 178.44 178.22 1pd7 n PHE 66 N -4.06 0.70 0.00 1.13 3.01 -0.87 -5.01 117.46 112.36 1pd7 n PHE 66 Ca -0.08 0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1pd7 n PHE 66 Cb 0.68 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1pd7 n PHE 66 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1pd7 n ARG 67 N -2.42 0.00 0.00 -1.08 0.00 -0.10 -2.84 116.66 110.21 1pd7 n ARG 67 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1pd7 n ARG 67 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.97 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pd7 n GLY 68 N 0.00 3.05 3.49 2.89 0.00 -1.26 -4.99 105.19 108.37 1pd7 n GLY 68 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1pd7 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pd7 s GLN 69 N 0.00 3.14 0.33 1.61 -0.21 -1.13 -4.84 119.66 118.55 1pd7 s GLN 69 Ca 0.00 -0.60 0.16 0.00 0.02 0.00 0.00 55.36 54.93 1pd7 s GLN 69 Cb 0.00 -4.21 0.47 0.00 1.00 0.00 0.00 33.01 30.27 1pd7 s GLN 69 CO 0.00 -1.94 1.64 1.05 -2.12 0.00 0.00 175.29 173.91 1pd7 h GLU 70 N 9.74 0.00 -0.85 2.91 4.11 -1.94 -3.34 114.58 125.22 1pd7 h GLU 70 Ca -0.28 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.28 1pd7 h GLU 70 Cb 1.06 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.17 1pd7 h GLU 70 CO 1.22 0.48 -0.39 0.22 0.07 0.00 0.00 179.01 180.61 1pd7 h ASP 71 N 0.00 -1.40 -0.37 3.06 3.58 -1.99 -1.07 116.42 118.23 1pd7 h ASP 71 Ca -0.00 0.28 -0.10 0.00 0.42 0.00 0.00 57.03 57.63 1pd7 h ASP 71 Cb 1.06 0.71 -0.01 0.00 1.72 0.00 0.00 39.33 42.81 1pd7 h ASP 71 CO 0.06 -0.29 -0.14 -0.07 -2.88 0.00 0.00 179.24 175.92 1pd7 h LEU 72 N -0.07 0.77 -0.55 2.28 3.38 -1.98 -2.68 115.31 116.46 1pd7 h LEU 72 Ca 0.29 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1pd7 h LEU 72 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1pd7 h LEU 72 CO -0.88 0.98 -0.30 -0.07 0.09 0.00 0.00 178.44 178.27 1pd7 h LEU 73 N 0.55 0.00 0.26 1.67 -0.00 -1.67 -1.31 115.31 114.82 1pd7 h LEU 73 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1pd7 h LEU 73 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1pd7 h LEU 73 CO 0.05 0.30 -0.13 -1.28 -0.00 0.00 0.00 178.44 177.38 1pd7 h SER 74 N 0.00 -0.30 1.13 -0.43 0.87 -1.06 -2.73 113.55 111.04 1pd7 h SER 74 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1pd7 h SER 74 Cb 1.02 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1pd7 h SER 74 CO 0.04 -0.02 0.00 -0.33 -0.53 0.00 0.00 176.83 175.98 1pd7 h GLU 75 N -0.57 0.00 0.00 2.24 5.08 -1.46 -1.92 114.58 117.95 1pd7 h GLU 75 Ca -0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1pd7 h GLU 75 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1pd7 h GLU 75 CO 0.06 0.00 -0.18 0.35 -1.00 0.00 0.00 179.01 178.24 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.06 -3.21 116.94 120.57 1pd7 h PHE 76 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pd7 h PHE 76 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1pd7 h PHE 76 CO 0.00 0.18 0.00 0.78 -2.23 0.00 0.00 178.31 177.04 1pd7 h GLY 77 N 0.77 0.00 -0.38 2.40 0.00 -1.04 -3.12 103.07 101.70 1pd7 h GLY 77 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 1pd7 h GLY 77 CO 0.02 0.00 0.09 1.46 0.00 0.00 0.00 176.54 178.12 1pd7 h GLN 78 N 0.00 0.14 0.03 4.80 1.08 -1.72 -2.67 115.11 116.78 1pd7 h GLN 78 Ca 0.00 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.92 1pd7 h GLN 78 Cb 0.05 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1pd7 h GLN 78 CO 0.00 0.10 -1.46 0.35 -0.95 0.00 0.00 178.83 176.87 1pd7 h PHE 79 N 0.15 0.12 -4.47 2.96 3.57 -1.86 -3.50 116.94 113.92 1pd7 h PHE 79 Ca 0.46 -0.09 -0.47 0.00 3.53 0.00 0.00 57.97 61.40 1pd7 h PHE 79 Cb 0.86 -0.00 0.09 0.00 2.79 0.00 0.00 35.95 39.69 1pd7 h PHE 79 CO -0.36 1.57 0.38 -0.51 -2.23 0.00 0.00 178.31 177.16 1pd7 s LEU 80 N -7.66 2.63 0.99 0.59 1.43 -1.01 -5.02 118.68 110.63 1pd7 s LEU 80 Ca -0.27 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1pd7 s LEU 80 Cb 0.06 -3.37 0.19 0.00 0.03 0.00 0.00 46.19 43.10 1pd7 s LEU 80 CO 0.64 -1.75 1.09 -2.84 0.23 0.00 0.00 176.35 173.71 1pd7 s PRO 81 N -5.49 0.44 -0.24 1.29 0.02 -1.26 -4.51 135.00 125.25 1pd7 s PRO 81 Ca 0.61 1.11 -0.21 0.00 0.02 0.00 0.00 61.00 62.53 1pd7 s PRO 81 Cb -0.11 -1.69 0.03 0.00 0.02 0.00 0.00 34.50 32.75 1pd7 s PRO 81 CO 0.49 -2.88 0.36 0.39 -0.33 0.00 0.00 177.00 175.02 1pd7 n GLU 82 N -4.36 -1.19 -2.82 5.54 -0.58 -1.26 -4.82 120.64 111.15 1pd7 n GLU 82 Ca 0.07 1.14 -0.03 0.00 -0.42 0.00 0.00 57.16 57.93 1pd7 n GLU 82 Cb 0.54 -1.60 0.01 0.00 -0.57 0.00 0.00 31.44 29.82 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pd7 s ALA 83 N -1.26 -2.69 -0.00 0.62 0.00 -1.26 -4.93 121.76 112.24 1pd7 s ALA 83 Ca 0.21 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1pd7 s ALA 83 Cb -0.02 -2.78 -0.18 0.00 0.00 0.00 0.00 23.12 20.13 1pd7 s ALA 83 CO 0.48 -2.30 1.27 -0.22 0.00 0.00 0.00 175.76 174.98 1pd7 h LYS 84 N 5.22 0.17 -0.00 0.00 1.63 -1.95 -3.46 116.57 118.17 1pd7 h LYS 84 Ca 0.04 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1pd7 h LYS 84 Cb 1.14 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1pd7 h LYS 84 CO -0.00 0.65 0.00 -2.13 -3.45 0.00 0.00 179.45 174.52